7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole

C7H9ClN4 — CID 54014684

IUPAC7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(Cl)c(C)[nH]n2n1
InChIInChI=1S/C7H9ClN4/c1-3-5-9-7-6(8)4(2)10-12(7)11-5/h10H,3H2,1-2H3
InChIKeyPHSMLGPOVKWNGM-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.58
Rot. Bonds1

About 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole

7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 54014684) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID54014684
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(Cl)c(C)[nH]n2n1
InChIInChI=1S/C7H9ClN4/c1-3-5-9-7-6(8)4(2)10-12(7)11-5/h10H,3H2,1-2H3
InChIKeyPHSMLGPOVKWNGM-UHFFFAOYSA-N
XLogP1.58
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 54014684) is 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole is CCc1nc2c(Cl)c(C)[nH]n2n1.
What is the InChIKey of 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is PHSMLGPOVKWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c1-3-5-9-7-6(8)4(2)10-12(7)11-5/h10H,3H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 184.63 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 54014684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).